2-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[(phenylmethyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[benzyl(2-thienylmethyl)carbamothioyl]amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[benzyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[benzyl(2-thenyl)thiocarbamoyl]amino]-N-(3-pyridylmethyl)acetamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=S)NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=S)NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H22N4OS2/c26-20(23-13-18-8-4-10-22-12-18)14-24-21(27)25(16-19-9-5-11-28-19)15-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,23,26)(H,24,27)